1-(1-ethylimidazol-2-yl)ethanamine

C7H13N3 — CID 63970415

IUPAC1-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1C(C)N
InChIInChI=1S/C7H13N3/c1-3-10-5-4-9-7(10)6(2)8/h4-6H,3,8H2,1-2H3
InChIKeySMYLQNPARGATRV-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.92
Rot. Bonds2

About 1-(1-ethylimidazol-2-yl)ethanamine

1-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 63970415) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)ethanamine
PubChem CID63970415
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1C(C)N
InChIInChI=1S/C7H13N3/c1-3-10-5-4-9-7(10)6(2)8/h4-6H,3,8H2,1-2H3
InChIKeySMYLQNPARGATRV-UHFFFAOYSA-N
XLogP0.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 79092901
(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61315339
1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine
CID 115860166
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
N-[(1R)-1-(1-ethylimidazol-2-yl)ethyl]cyclopropanamine
CID 97177377
[1-(1-ethylimidazol-2-yl)-3-methylbutyl]hydrazine
CID 105198831
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)ethanamine (CID 63970415) is 1-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)ethanamine is CCn1ccnc1C(C)N.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is SMYLQNPARGATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-10-5-4-9-7(10)6(2)8/h4-6H,3,8H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)ethanamine?
1-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 63970415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).